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Di-tert-butyl hydrazodiformate

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Name

Di-tert-butyl hydrazodiformate

EINECS 240-512-3
CAS No. 16466-61-8 Density 1.196 g/cm3
PSA N/A LogP N/A
Solubility Insoluble in water. Melting Point 123-126 °C (dec.)(lit.)
Formula C10H20N2O4 Boiling Point 281.7 °C at 760 mmHg
Molecular Weight 232.28 Flash Point 124.2 °C
Transport Information N/A Appearance N/A
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 16466-61-8 (DI-TERT-BUTYL HYDRAZODICARBOXYLATE) Hazard Symbols IrritantXi
Synonyms

1,2-Hydrazinedicarboxylicacid, bis(1,1-dimethylethyl) ester (9CI);Bicarbamic acid, di-tert-butyl ester(6CI,8CI);DBADH2;Di-tert-butyl 1,2-hydrazodicarboxylate;Di-tert-butylbicarbamate;Di-tert-butyl carbazate;Di-tert-butyl hydrazodicarboxylate;N,N'-Bis(tert-butoxycarbonyl)hydrazine;N,N'-Di-Boc-hydrazine;

Article Data 29

Di-tert-butyl hydrazodiformate Specification

The Di-tert-butyl hydrazodiformate, with the CAS registry number 16466-61-8, is also known as N,N'-Di-tert-butoxycarbonylhydrazine. Its EINECS registry number is 240-512-3. This chemical's molecular formula is C10H20N2O4 and molecular weight is 232.28. Its IUPAC name is called tert-butyl N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate.

Physical properties of Di-tert-butyl hydrazodiformate: (1)ACD/LogP: 1.34; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.14; (4)ACD/LogD (pH 7.4): 1.34; (5)ACD/BCF (pH 5.5): 3.91; (6)ACD/BCF (pH 7.4): 6.12; (7)ACD/KOC (pH 5.5): 81.14; (8)ACD/KOC (pH 7.4): 126.98; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.634; (13)Molar Refractivity: 40.7 cm3; (14)Molar Volume: 113.7 cm3; (15)Surface Tension: 51.8 dyne/cm; (16)Density: 1.196 g/cm3; (17)Melting Point: 123-126 °C (dec.)(lit.); (18)Flash Point: 124.2 °C ; (19)Enthalpy of Vaporization: 52.05 kJ/mol; (20)Boiling Point: 281.7 °C at 760 mmHg; (21)Vapour Pressure: 0.00351 mmHg at 25°C.

Preparation: this chemical can be prepared by di-tert-butyl dicarbonate. This reaction will need reagent H2NNH2 and solvent methanol. The reaction temperature is 20 ℃. The yield is about 96%.

Uses of Di-tert-butyl hydrazodiformate: it can be used to produce 5,8-dihydro-1H,4H-pyridazino[4,5-d]pyridazine-2,3,6,7-tetracarboxylic acid tetra-tert-butyl ester. This reaction will need reagent sodium hydride.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)OC(=O)NNC(=O)OC(C)(C)C
(2)InChI: InChI=1S/C10H20N2O4/c1-9(2,3)15-7(13)11-12-8(14)16-10(4,5)6/h1-6H3,(H,11,13)(H,12,14)
(3)InChIKey: TYSZETYVESRFNT-UHFFFAOYSA-N

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